Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50045550 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067543
(CHEMBL3402046)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(29-15-19-41-106)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067549
(CHEMBL3402052)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C83H144N30O23/c1-42(86)66(121)103-54(26-17-35-96-82(90)91)72(127)112-65(47(6)117)78(133)107-52(24-12-15-33-94-57-38-49(57)48-20-8-7-9-21-48)69(124)106-55(29-30-60(87)118)73(128)111-64(46(5)116)77(132)100-43(2)67(122)104-53(25-16-34-95-81(88)89)70(125)105-51(23-11-14-32-85)71(126)109-58(41-114)74(129)110-63(45(4)115)76(131)99-39-61(119)98-40-62(120)102-50(22-10-13-31-84)68(123)101-44(3)79(134)113-37-19-28-59(113)75(130)108-56(80(135)136)27-18-36-97-83(92)93/h7-9,20-21,42-47,49-59,63-65,94,114-117H,10-19,22-41,84-86H2,1-6H3,(H2,87,118)(H,98,119)(H,99,131)(H,100,132)(H,101,123)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,133)(H,108,130)(H,109,126)(H,110,129)(H,111,128)(H,112,127)(H,135,136)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t42-,43+,44+,45+,46+,47+,49?,50+,51+,52+,53+,54+,55+,56+,57?,58+,59+,63+,64+,65+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067544
(CHEMBL3402047)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:122| Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(26-12-16-38-101)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(27-13-17-42-133-43-18-19-44-133)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067546
(CHEMBL3402049)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(29-15-19-41-106)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 283 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067551
(CHEMBL3402053)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O |r| Show InChI InChI=1S/C63H108N22O19/c1-31(65)51(94)77-41(20-14-26-73-63(69)70)56(99)85-50(35(5)89)61(104)81-39(18-10-12-24-71-43-27-37(43)36-15-7-6-8-16-36)53(96)80-42(21-22-45(66)90)57(100)84-49(34(4)88)60(103)76-32(2)52(95)78-40(19-13-25-72-62(67)68)54(97)79-38(17-9-11-23-64)55(98)82-44(30-86)58(101)83-48(33(3)87)59(102)75-28-46(91)74-29-47(92)93/h6-8,15-16,31-35,37-44,48-50,71,86-89H,9-14,17-30,64-65H2,1-5H3,(H2,66,90)(H,74,91)(H,75,102)(H,76,103)(H,77,94)(H,78,95)(H,79,97)(H,80,96)(H,81,104)(H,82,98)(H,83,101)(H,84,100)(H,85,99)(H,92,93)(H4,67,68,72)(H4,69,70,73)/t31-,32+,33+,34+,35+,37?,38+,39+,40+,41+,42+,43?,44+,48+,49+,50+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067555
(CHEMBL3402054)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C52H90N18O13/c1-27(54)42(74)64-35(19-13-25-62-52(58)59)46(78)70-41(30(4)72)49(81)67-33(16-9-11-23-60-38-26-32(38)31-14-6-5-7-15-31)44(76)66-36(20-21-39(55)73)47(79)69-40(29(3)71)48(80)63-28(2)43(75)65-34(18-12-24-61-51(56)57)45(77)68-37(50(82)83)17-8-10-22-53/h5-7,14-15,27-30,32-38,40-41,60,71-72H,8-13,16-26,53-54H2,1-4H3,(H2,55,73)(H,63,80)(H,64,74)(H,65,75)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,78)(H,82,83)(H4,56,57,61)(H4,58,59,62)/t27-,28+,29+,30+,32?,33+,34+,35+,36+,37+,38?,40+,41+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 443 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50113851
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50113851
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067587
(CHEMBL3402055)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C33H54N10O8/c1-18(34)28(46)40-23(12-8-16-39-33(36)37)30(48)43-27(19(2)44)31(49)41-22(29(47)42-24(32(50)51)13-14-26(35)45)11-6-7-15-38-25-17-21(25)20-9-4-3-5-10-20/h3-5,9-10,18-19,21-25,27,38,44H,6-8,11-17,34H2,1-2H3,(H2,35,45)(H,40,46)(H,41,49)(H,42,47)(H,43,48)(H,50,51)(H4,36,37,39)/t18-,19+,21?,22+,23+,24+,25?,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067545
(CHEMBL3402048)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123| Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(27-13-17-39-102)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(28-14-20-45-134-43-18-10-19-44-134)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067548
(CHEMBL3402051)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:85| Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(28-14-20-45-134-43-18-10-19-44-134)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(27-13-17-39-102)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067587
(CHEMBL3402055)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C33H54N10O8/c1-18(34)28(46)40-23(12-8-16-39-33(36)37)30(48)43-27(19(2)44)31(49)41-22(29(47)42-24(32(50)51)13-14-26(35)45)11-6-7-15-38-25-17-21(25)20-9-4-3-5-10-20/h3-5,9-10,18-19,21-25,27,38,44H,6-8,11-17,34H2,1-2H3,(H2,35,45)(H,40,46)(H,41,49)(H,42,47)(H,43,48)(H,50,51)(H4,36,37,39)/t18-,19+,21?,22+,23+,24+,25?,27+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067543
(CHEMBL3402046)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(29-15-19-41-106)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067544
(CHEMBL3402047)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:122| Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(26-12-16-38-101)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(27-13-17-42-133-43-18-19-44-133)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067545
(CHEMBL3402048)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123| Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(27-13-17-39-102)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(28-14-20-45-134-43-18-10-19-44-134)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067546
(CHEMBL3402049)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(29-15-19-41-106)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067547
(CHEMBL3402050)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:84| Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(27-13-17-42-133-43-18-19-44-133)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(26-12-16-38-101)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067548
(CHEMBL3402051)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:85| Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(28-14-20-45-134-43-18-10-19-44-134)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(27-13-17-39-102)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067549
(CHEMBL3402052)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C83H144N30O23/c1-42(86)66(121)103-54(26-17-35-96-82(90)91)72(127)112-65(47(6)117)78(133)107-52(24-12-15-33-94-57-38-49(57)48-20-8-7-9-21-48)69(124)106-55(29-30-60(87)118)73(128)111-64(46(5)116)77(132)100-43(2)67(122)104-53(25-16-34-95-81(88)89)70(125)105-51(23-11-14-32-85)71(126)109-58(41-114)74(129)110-63(45(4)115)76(131)99-39-61(119)98-40-62(120)102-50(22-10-13-31-84)68(123)101-44(3)79(134)113-37-19-28-59(113)75(130)108-56(80(135)136)27-18-36-97-83(92)93/h7-9,20-21,42-47,49-59,63-65,94,114-117H,10-19,22-41,84-86H2,1-6H3,(H2,87,118)(H,98,119)(H,99,131)(H,100,132)(H,101,123)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,133)(H,108,130)(H,109,126)(H,110,129)(H,111,128)(H,112,127)(H,135,136)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t42-,43+,44+,45+,46+,47+,49?,50+,51+,52+,53+,54+,55+,56+,57?,58+,59+,63+,64+,65+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067551
(CHEMBL3402053)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O |r| Show InChI InChI=1S/C63H108N22O19/c1-31(65)51(94)77-41(20-14-26-73-63(69)70)56(99)85-50(35(5)89)61(104)81-39(18-10-12-24-71-43-27-37(43)36-15-7-6-8-16-36)53(96)80-42(21-22-45(66)90)57(100)84-49(34(4)88)60(103)76-32(2)52(95)78-40(19-13-25-72-62(67)68)54(97)79-38(17-9-11-23-64)55(98)82-44(30-86)58(101)83-48(33(3)87)59(102)75-28-46(91)74-29-47(92)93/h6-8,15-16,31-35,37-44,48-50,71,86-89H,9-14,17-30,64-65H2,1-5H3,(H2,66,90)(H,74,91)(H,75,102)(H,76,103)(H,77,94)(H,78,95)(H,79,97)(H,80,96)(H,81,104)(H,82,98)(H,83,101)(H,84,100)(H,85,99)(H,92,93)(H4,67,68,72)(H4,69,70,73)/t31-,32+,33+,34+,35+,37?,38+,39+,40+,41+,42+,43?,44+,48+,49+,50+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067555
(CHEMBL3402054)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C52H90N18O13/c1-27(54)42(74)64-35(19-13-25-62-52(58)59)46(78)70-41(30(4)72)49(81)67-33(16-9-11-23-60-38-26-32(38)31-14-6-5-7-15-31)44(76)66-36(20-21-39(55)73)47(79)69-40(29(3)71)48(80)63-28(2)43(75)65-34(18-12-24-61-51(56)57)45(77)68-37(50(82)83)17-8-10-22-53/h5-7,14-15,27-30,32-38,40-41,60,71-72H,8-13,16-26,53-54H2,1-4H3,(H2,55,73)(H,63,80)(H,64,74)(H,65,75)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,78)(H,82,83)(H4,56,57,61)(H4,58,59,62)/t27-,28+,29+,30+,32?,33+,34+,35+,36+,37+,38?,40+,41+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067555
(CHEMBL3402054)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C52H90N18O13/c1-27(54)42(74)64-35(19-13-25-62-52(58)59)46(78)70-41(30(4)72)49(81)67-33(16-9-11-23-60-38-26-32(38)31-14-6-5-7-15-31)44(76)66-36(20-21-39(55)73)47(79)69-40(29(3)71)48(80)63-28(2)43(75)65-34(18-12-24-61-51(56)57)45(77)68-37(50(82)83)17-8-10-22-53/h5-7,14-15,27-30,32-38,40-41,60,71-72H,8-13,16-26,53-54H2,1-4H3,(H2,55,73)(H,63,80)(H,64,74)(H,65,75)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,78)(H,82,83)(H4,56,57,61)(H4,58,59,62)/t27-,28+,29+,30+,32?,33+,34+,35+,36+,37+,38?,40+,41+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067551
(CHEMBL3402053)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O |r| Show InChI InChI=1S/C63H108N22O19/c1-31(65)51(94)77-41(20-14-26-73-63(69)70)56(99)85-50(35(5)89)61(104)81-39(18-10-12-24-71-43-27-37(43)36-15-7-6-8-16-36)53(96)80-42(21-22-45(66)90)57(100)84-49(34(4)88)60(103)76-32(2)52(95)78-40(19-13-25-72-62(67)68)54(97)79-38(17-9-11-23-64)55(98)82-44(30-86)58(101)83-48(33(3)87)59(102)75-28-46(91)74-29-47(92)93/h6-8,15-16,31-35,37-44,48-50,71,86-89H,9-14,17-30,64-65H2,1-5H3,(H2,66,90)(H,74,91)(H,75,102)(H,76,103)(H,77,94)(H,78,95)(H,79,97)(H,80,96)(H,81,104)(H,82,98)(H,83,101)(H,84,100)(H,85,99)(H,92,93)(H4,67,68,72)(H4,69,70,73)/t31-,32+,33+,34+,35+,37?,38+,39+,40+,41+,42+,43?,44+,48+,49+,50+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067549
(CHEMBL3402052)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C83H144N30O23/c1-42(86)66(121)103-54(26-17-35-96-82(90)91)72(127)112-65(47(6)117)78(133)107-52(24-12-15-33-94-57-38-49(57)48-20-8-7-9-21-48)69(124)106-55(29-30-60(87)118)73(128)111-64(46(5)116)77(132)100-43(2)67(122)104-53(25-16-34-95-81(88)89)70(125)105-51(23-11-14-32-85)71(126)109-58(41-114)74(129)110-63(45(4)115)76(131)99-39-61(119)98-40-62(120)102-50(22-10-13-31-84)68(123)101-44(3)79(134)113-37-19-28-59(113)75(130)108-56(80(135)136)27-18-36-97-83(92)93/h7-9,20-21,42-47,49-59,63-65,94,114-117H,10-19,22-41,84-86H2,1-6H3,(H2,87,118)(H,98,119)(H,99,131)(H,100,132)(H,101,123)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,133)(H,108,130)(H,109,126)(H,110,129)(H,111,128)(H,112,127)(H,135,136)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t42-,43+,44+,45+,46+,47+,49?,50+,51+,52+,53+,54+,55+,56+,57?,58+,59+,63+,64+,65+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067548
(CHEMBL3402051)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:85| Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(28-14-20-45-134-43-18-10-19-44-134)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(27-13-17-39-102)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50067587
(CHEMBL3402055)Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C33H54N10O8/c1-18(34)28(46)40-23(12-8-16-39-33(36)37)30(48)43-27(19(2)44)31(49)41-22(29(47)42-24(32(50)51)13-14-26(35)45)11-6-7-15-38-25-17-21(25)20-9-4-3-5-10-20/h3-5,9-10,18-19,21-25,27,38,44H,6-8,11-17,34H2,1-2H3,(H2,35,45)(H,40,46)(H,41,49)(H,42,47)(H,43,48)(H,50,51)(H4,36,37,39)/t18-,19+,21?,22+,23+,24+,25?,27+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067546
(CHEMBL3402049)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(29-15-19-41-106)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067545
(CHEMBL3402048)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:123| Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(27-13-17-39-102)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(28-14-20-45-134-43-18-10-19-44-134)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067544
(CHEMBL3402047)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:122| Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(26-12-16-38-101)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(27-13-17-42-133-43-18-19-44-133)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067543
(CHEMBL3402046)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(29-15-19-41-106)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50067547
(CHEMBL3402050)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:84| Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(27-13-17-42-133-43-18-19-44-133)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(26-12-16-38-101)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50113851
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50067547
(CHEMBL3402050)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O |r,c:84| Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(27-13-17-42-133-43-18-19-44-133)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(26-12-16-38-101)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de... |
Bioorg Med Chem Lett 25: 1925-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P |
More data for this
Ligand-Target Pair | |
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